4-N-methyl-2-N-propan-2-ylquinazoline-2,4-diamine

C12H16N4 — CID 90676298

IUPAC4-N-methyl-2-N-propan-2-ylquinazoline-2,4-diamine
SMILESCNc1nc(NC(C)C)nc2ccccc12
InChIInChI=1S/C12H16N4/c1-8(2)14-12-15-10-7-5-4-6-9(10)11(13-3)16-12/h4-8H,1-3H3,(H2,13,14,15,16)
InChIKeyKUVHWYXTRNRFKD-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.49
Rot. Bonds3

About 4-N-methyl-2-N-propan-2-ylquinazoline-2,4-diamine

4-N-methyl-2-N-propan-2-ylquinazoline-2,4-diamine (PubChem CID 90676298) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 4-N-methyl-2-N-propan-2-ylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-propan-2-ylquinazoline-2,4-diamine
PubChem CID90676298
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name4-N-methyl-2-N-propan-2-ylquinazoline-2,4-diamine
SMILESCNc1nc(NC(C)C)nc2ccccc12
InChIInChI=1S/C12H16N4/c1-8(2)14-12-15-10-7-5-4-6-9(10)11(13-3)16-12/h4-8H,1-3H3,(H2,13,14,15,16)
InChIKeyKUVHWYXTRNRFKD-UHFFFAOYSA-N
XLogP2.49
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-propan-2-ylquinazoline-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-propan-2-ylquinazoline-2,4-diamine (CID 90676298) is 4-N-methyl-2-N-propan-2-ylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N-propan-2-ylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-propan-2-ylquinazoline-2,4-diamine is CNc1nc(NC(C)C)nc2ccccc12.
What is the InChIKey of 4-N-methyl-2-N-propan-2-ylquinazoline-2,4-diamine?
The InChIKey is KUVHWYXTRNRFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-8(2)14-12-15-10-7-5-4-6-9(10)11(13-3)16-12/h4-8H,1-3H3,(H2,13,14,15,16).
What are the key properties of 4-N-methyl-2-N-propan-2-ylquinazoline-2,4-diamine?
4-N-methyl-2-N-propan-2-ylquinazoline-2,4-diamine has a molecular weight of 216.29 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N-propan-2-ylquinazoline-2,4-diamine is sourced from PubChem (CID 90676298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).